SCHEMBL4650949

SCHEMBL4650949

CCCCCCCCCCCCOc1sc(C(=O)Nc2ccccc2C(=O)O)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 8/20 0.61
PTPN1 P18031 4/20 0.54
PLK3 Q9H4B4 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
MAPK8 P45983 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
CDC25B P30305 1/20 0.45
PTPN11 Q06124 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4651952 1.00 PLK1 (0.61) PLK1PTPN1PLK3SMN1; SMN2MEN1
SCHEMBL4651959 1.00 PLK1 (0.61) PLK1PTPN1PLK3SMN1; SMN2MEN1
SCHEMBL4651844 0.85 PLK1 (0.46) PLK1PTPN1PLK3SMN1; SMN2MEN1
SCHEMBL4651949 0.84 PLK1 (0.60) PLK1PTPN1PLK3SMN1; SMN2MEN1
SCHEMBL4651954 0.84 PLK1 (0.60) PLK1PTPN1PLK3SMN1; SMN2MEN1
SCHEMBL4650948 0.84 PLK1 (0.60) PLK1PTPN1PLK3SMN1; SMN2MEN1
SCHEMBL4652887 0.83 TSHR (0.48) MEN1KMT2APTPN11ALDH1A1LMNA
SCHEMBL4651612 0.83 TSHR (0.48) MEN1KMT2APTPN11ALDH1A1LMNA
SCHEMBL4651707 0.83 TSHR (0.48) MEN1KMT2APTPN11ALDH1A1LMNA
SCHEMBL4651631 0.78 LMNA (0.46) MEN1KMT2AHPGDKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed